1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole

C16H22N2O3S — CID 2238174

IUPAC1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C(C)C
InChIInChI=1S/C16H22N2O3S/c1-6-21-16-8-7-14(10-15(16)11(2)3)22(19,20)18-13(5)9-12(4)17-18/h7-11H,6H2,1-5H3
InChIKeyVVBLZWWOJXWDFE-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 2238174) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID2238174
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C(C)C
InChIInChI=1S/C16H22N2O3S/c1-6-21-16-8-7-14(10-15(16)11(2)3)22(19,20)18-13(5)9-12(4)17-18/h7-11H,6H2,1-5H3
InChIKeyVVBLZWWOJXWDFE-UHFFFAOYSA-N
XLogP3.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 2238174) is 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole is CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C(C)C.
What is the InChIKey of 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is VVBLZWWOJXWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-6-21-16-8-7-14(10-15(16)11(2)3)22(19,20)18-13(5)9-12(4)17-18/h7-11H,6H2,1-5H3.
What are the key properties of 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 322.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 2238174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).